2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-4-(2-methylpropyl)morpholine

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-4-(2-methylpropyl)morpholine Openeye Name: 4-isobutyl-2-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]morpholine CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-4-(2-methylpropyl)morpholine IUPAC Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-4-(2-methylpropyl)morpholine Traditional Name: 4-isobutyl-2-[(4-tosyl-1,4-diazepan-1-yl)methyl]morpholine Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3CN(CCO3)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3CN(CCO3)CC(C)C

InChI

InChI=1S/C21H35N3O3S/c1-18(2)15-23-13-14-27-20(17-23)16-22-9-4-10-24(12-11-22)28(25,26)21-7-5-19(3)6-8-21/h5-8,18,20H,4,9-17H2,1-3H3